1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]propan-2-ol

C11H6F12O2 — CID 23528219

IUPAC1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]propan-2-ol
SMILESOC(C1=C(C(O)(C(F)(F)F)C(F)(F)F)CC=C1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H6F12O2/c12-8(13,14)6(24,9(15,16)17)4-2-1-3-5(4)7(25,10(18,19)20)11(21,22)23/h1-2,24-25H,3H2
InChIKeyUXCJODMBUIHFCW-UHFFFAOYSA-N
MW398.14 g/mol
LogP3.95
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]propan-2-ol

1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]propan-2-ol (PubChem CID 23528219) has the molecular formula C11H6F12O2 and a molecular weight of 398.14 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]propan-2-ol
PubChem CID23528219
Molecular FormulaC11H6F12O2
Molecular Weight398.14 g/mol
Exact Mass398.02
IUPAC Name1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]propan-2-ol
SMILESOC(C1=C(C(O)(C(F)(F)F)C(F)(F)F)CC=C1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H6F12O2/c12-8(13,14)6(24,9(15,16)17)4-2-1-3-5(4)7(25,10(18,19)20)11(21,22)23/h1-2,24-25H,3H2
InChIKeyUXCJODMBUIHFCW-UHFFFAOYSA-N
XLogP3.95
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.14
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]propan-2-ol (CID 23528219) is 1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]propan-2-ol is OC(C1=C(C(O)(C(F)(F)F)C(F)(F)F)CC=C1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]propan-2-ol?
The InChIKey is UXCJODMBUIHFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F12O2/c12-8(13,14)6(24,9(15,16)17)4-2-1-3-5(4)7(25,10(18,19)20)11(21,22)23/h1-2,24-25H,3H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]propan-2-ol has a molecular weight of 398.14 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)cyclopenta-1,3-dien-1-yl]propan-2-ol is sourced from PubChem (CID 23528219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).